Marvin  01241309322D          

 19 18  0  0  1  0            999 V2000
    8.7457   -8.4056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4602   -7.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1746   -8.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8890   -7.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6035   -8.4056    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3180   -7.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0324   -8.4056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3180   -7.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6035   -9.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4602   -7.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7457   -9.2306    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4602   -9.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1746   -9.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0313   -9.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3168   -9.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024   -9.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8878   -9.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4602  -10.4680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024  -10.4680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  5  9  1  6  0  0  0
  2 10  2  0  0  0  0
 11  1  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 18  2  0  0  0  0
 16 19  2  0  0  0  0
M  END
> <ID>
CHEBI:71683

> <NAME>
D-gamma-glutamyl-D-glutamic acid

> <DEFINITION>
A dipeptide consisting of a D-γ-glutamyl residue attached to D-glutamic via a peptide linkage.

> <STAR>
3

> <SYNONYM>
D-gamma-Glu-D-Glu

> <IUPAC_NAME>
D-gamma-glutamyl-D-glutamic acid

> <FORMULA>
C10H16N2O7

> <MASS>
276.24320

> <MONOISOTOPIC_MASS>
276.09575

> <CHARGE>
0

> <SMILES>
N[C@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O

> <INCHI>
InChI=1S/C10H16N2O7/c11-5(9(16)17)1-3-7(13)12-6(10(18)19)2-4-8(14)15/h5-6H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t5-,6-/m1/s1

> <INCHIKEY>
OWQDWQKWSLFFFR-PHDIDXHHSA-N

> <REAXYS_REGISTRY_NUMBER>
1729789

$$$$